N-(2-methyl-5-nitro-phenyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-3-phenylsulfanyl-propanamide CAS Name: N-(2-methyl-5-nitrophenyl)-3-(phenylthio)propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-3-(phenylthio)propionamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-12-7-8-13(18(20)21)11-15(12)17-16(19)9-10-22-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,17,19)